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Compile Data Set for Download or QSAR

Found 1121 hits with Last Name = 'lewin' and Initial = 'ne'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C delta


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM92596
PNG
(Sapintoxin D)
Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16|
Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1
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0.140 -54.9n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


J Biol Chem 283: 10543-9 (2008)


Article DOI: 10.1074/jbc.M707463200
BindingDB Entry DOI: 10.7270/Q2CF9NQ6
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133238
PNG
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244449
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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0.180n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244450
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C22H31NO5/c1-15(2)9-17(10-16(3)4)20(25)27-14-22(13-24)12-18(21(26)28-22)11-19-7-5-6-8-23-19/h5-8,11,15-17,24H,9-10,12-14H2,1-4H3/b18-11+
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.220n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50244449
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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0.25n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.270n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,t:33,TLB:1:35:17:14.15,THB:2:14:19.35.36:17,20:19:17:14.15,20:19:1.2.14:36.16.17|
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.290n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244449
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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0.330n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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0.340n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.350n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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0.351n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to wild-type Protein kinase C delta C1b domain


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133238
PNG
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC beta expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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0.410n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.430n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein Kinase D-GST


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.450n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133249
PNG
(CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50245022
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(quinolin-3-ylmethy...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cnc3ccccc3c2)C(=O)O1
Show InChI InChI=1S/C24H29NO5/c1-3-7-18(8-4-2)22(27)29-16-24(15-26)13-20(23(28)30-24)12-17-11-19-9-5-6-10-21(19)25-14-17/h5-6,9-12,14,18,26H,3-4,7-8,13,15-16H2,1-2H3/b20-12+
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0.520n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.530n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151114
PNG
(CHEMBL3770682)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1/C30H28F4N4O5S2/c1-20(22-13-15-26(25(31)17-22)37-44(2,40)41)29(39)35-18-23-14-16-27(30(32,33)34)36-28(23)38(19-21-9-5-3-6-10-21)45(42,43)24-11-7-4-8-12-24/h3-17,20,37H,18-19H2,1-2H3,(H,35,39)/t20-/s2
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0.540n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C |w:6.5,8.7,t:35,TLB:1:37:19:16.17,THB:2:16:21.37.38:19,22:21:19:16.17,22:21:1.2.16:38.18.19|
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.550n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C epsilon


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C |t:17,25|
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.560n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50244449
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+
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0.580n/an/an/an/an/an/an/an/a



Laboratory of Organic Synthesis, Center of Research and Development in Chemistry, National Institute of Industrial Technology, Buenos Aires, Argentina.

Curated by ChEMBL




Bioorg Med Chem 25: 2971-2980 (2017)


Article DOI: 10.1016/j.bmc.2017.03.022
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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0.690n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244451
PNG
((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...)
Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1
Show InChI InChI=1S/C26H35NO5/c1-17(2)10-19(11-18(3)4)24(29)31-16-26(15-28)13-20(25(30)32-26)12-21-14-27(5)23-9-7-6-8-22(21)23/h6-9,12,14,17-19,28H,10-11,13,15-16H2,1-5H3/b20-12+
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0.700n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150646
PNG
(CHEMBL3770091)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H26F6N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41)
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0.710n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244979
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(pyridin-2-ylmethyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccccn2)C(=O)O1
Show InChI InChI=1S/C20H27NO5/c1-3-7-15(8-4-2)18(23)25-14-20(13-22)12-16(19(24)26-20)11-17-9-5-6-10-21-17/h5-6,9-11,15,22H,3-4,7-8,12-14H2,1-2H3/b16-11+
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0.720n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells


J Med Chem 51: 5371-86 (2008)


Article DOI: 10.1021/jm800380b
BindingDB Entry DOI: 10.7270/Q21V5DSQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151119
PNG
(CHEMBL3769821)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H27ClF4N4O5S2/c1-19(21-8-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-9-15-27(30(33,34)35)37-28(22)39(18-20-6-4-3-5-7-20)46(43,44)24-12-10-23(31)11-13-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40)
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0.760n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.770n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC delta expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PDBu binding to PKC delta wild type


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50080322
PNG
(Acetic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-acet...)
Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |t:14,22|
Show InChI InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18?,20-,22-,23-,24-/m1/s1
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0.820n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Phe13 to Gly)


J Med Chem 42: 3436-46 (1999)


Article DOI: 10.1021/jm990129n
BindingDB Entry DOI: 10.7270/Q25T3JP5
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50216859
PNG
(CHEMBL442232 | {2-(hydroxymethyl)-5-[5-methyl-3-(2...)
Show SMILES CC(C)CC(C\C=C1\OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C |w:9.11|
Show InChI InChI=1S/C21H36O6/c1-14(2)10-16(11-15(3)4)8-9-17-18(23)27-21(12-22,26-17)13-25-19(24)20(5,6)7/h9,14-16,22H,8,10-13H2,1-7H3/b17-9+
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0.820n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
RAS guanyl-releasing protein 1


(Homo sapiens (Human))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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0.870n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphat...


Bioorg Med Chem 22: 3123-40 (2014)


Article DOI: 10.1016/j.bmc.2014.04.024
BindingDB Entry DOI: 10.7270/Q2P270QK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150058
PNG
(CHEMBL3770670)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C30H26ClF5N4O5S2/c1-18(20-5-13-26(25(33)15-20)39-46(2,42)43)29(41)37-16-21-6-14-27(30(34,35)36)38-28(21)40(17-19-3-7-22(31)8-4-19)47(44,45)24-11-9-23(32)10-12-24/h3-15,18,39H,16-17H2,1-2H3,(H,37,41)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50216857
PNG
((2-(hydroxymethyl)-4-(3-methylbutylidene)-5-oxo-te...)
Show SMILES CC(C)C\C=C1\OC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O |w:7.9|
Show InChI InChI=1S/C21H36O6/c1-14(2)7-8-18-20(24)27-21(12-22,26-18)13-25-19(23)11-17(9-15(3)4)10-16(5)6/h8,14-17,22H,7,9-13H2,1-6H3/b18-8+
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0.900n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50107120
PNG
((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+
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0.900n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine


J Med Chem 48: 5738-48 (2005)


Article DOI: 10.1021/jm050352m
BindingDB Entry DOI: 10.7270/Q27M07G5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50107120
PNG
((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+
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0.900n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity for isolated C1b domain of protein kinase C-delta


J Med Chem 47: 4858-64 (2004)


Article DOI: 10.1021/jm049723+
BindingDB Entry DOI: 10.7270/Q25D8SMX
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
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